- InChI
- InChI=1S/C12H16Cl2O2/c1-8(2)5-6-10(7-9(3)4)16-12(15)11(13)14/h9-11H,1,7H2,2-4H3
- InChI Key
- VSXCBHKTNKYJJP-UHFFFAOYSA-N
- Formula
- C12H16Cl2O2
- SMILES
-
C=C(C)C#CC(CC(C)C)OC(=O)C(Cl)C
l - Molecular Weight1
- 263.16
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | 67.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -195.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.63 | kJ/mol | Joback Calculated Property |
| log10WS | -4.14 | Crippen Calculated Property | |
| logPoct/wat | 3.328 | Crippen Calculated Property | |
| McVol | 198.960 | ml/mol | McGowan Calculated Property |
| Pc | 2129.52 | kPa | Joback Calculated Property |
| Inp | 1482.00 | NIST | |
| Tboil | 629.35 | K | Joback Calculated Property |
| Tc | 845.58 | K | Joback Calculated Property |
| Tfus | 402.38 | K | Joback Calculated Property |
| Vc | 0.755 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [465.05; 538.03] | J/mol×K | [629.35; 845.58] | 
|
| Cp,gas | 465.05 | J/mol×K | 629.35 | Joback Calculated Property |
| Cp,gas | 479.20 | J/mol×K | 665.39 | Joback Calculated Property |
| Cp,gas | 492.53 | J/mol×K | 701.43 | Joback Calculated Property |
| Cp,gas | 505.05 | J/mol×K | 737.46 | Joback Calculated Property |
| Cp,gas | 516.79 | J/mol×K | 773.50 | Joback Calculated Property |
| Cp,gas | 527.78 | J/mol×K | 809.54 | Joback Calculated Property |
| Cp,gas | 538.03 | J/mol×K | 845.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dichloroacetic acid, 2,7-dimethyloct-7-en-5-yn-4-yl.
Sources
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